⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8738857 | 0.67 | — | — | |
| SCHEMBL1917730 | 0.64 | — | — | |
| SCHEMBL16025280 | 0.59 | — | — | |
| SCHEMBL24080954 | 0.59 | KDM4E (0.30) | — | |
| SCHEMBL19128040 | 0.58 | — | — | |
| SCHEMBL27354623 | 0.58 | — | — | |
| SCHEMBL27551671 | 0.58 | — | — | |
| SCHEMBL4207938 | 0.58 | — | — | |
| SCHEMBL188415 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL28563736 | 0.56 | KDM4E (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090069287-A1 | SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS | PFIZER INC | 2009-03-12 | — | — | US | disclosed |